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DOE OSTI · 1330042

Materials Data on Sr3BiAs by Materials Project

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Abstract

Sr3BiAs is (Cubic) Perovskite structured and crystallizes in the cubic Pm-3m space group. The structure is three-dimensional. Sr is bonded in a linear geometry to four equivalent Bi and two equivalent As atoms. All Sr–Bi bond lengths are 4.16 Å. Both Sr–As bond lengths are 2.94 Å. Bi is bonded to twelve equivalent Sr atoms to form BiSr12 cuboctahedra that share corners with twelve equivalent BiSr12 cuboctahedra, faces with six equivalent BiSr12 cuboctahedra, and faces with eight equivalent AsSr6 octahedra. As is bonded to six equivalent Sr atoms to form AsSr6 octahedra that share corners with six equivalent AsSr6 octahedra and faces with eight equivalent BiSr12 cuboctahedra. The corner-sharing octahedral tilt angles are 0°.

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36 MATERIALS SCIENCEAs-Bi-Srcrystal structureSr3BiAs

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2020-07-23. Materials Data on Sr3BiAs by Materials Project. https://doi.org/10.17188/1330042

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